CID 96549

2024-08-0

Structural Information

Molecular Formula
C19H21Cl2FN2
SMILES
CC1=C(C=CC(=C1)N(CCCl)CCCl)C=NC2=C(C=C(C=C2)F)C
InChI
InChI=1S/C19H21Cl2FN2/c1-14-12-18(24(9-7-20)10-8-21)5-3-16(14)13-23-19-6-4-17(22)11-15(19)2/h3-6,11-13H,7-10H2,1-2H3
InChIKey
ZTXBAJPMKRLEOQ-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)-4-[(4-fluoro-2-methylphenyl)iminomethyl]-3-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.10657 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.11385 187.2
[M+Na]+ 389.09579 195.8
[M-H]- 365.09929 194.0
[M+NH4]+ 384.14039 202.2
[M+K]+ 405.06973 188.6
[M+H-H2O]+ 349.10383 178.6
[M+HCOO]- 411.10477 203.2
[M+CH3COO]- 425.12042 226.0
[M+Na-2H]- 387.08124 187.8
[M]+ 366.10602 193.0
[M]- 366.10712 193.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.