CID 218316

Brn 1981568

Structural Information

Molecular Formula
C12H15Cl2FN2O
SMILES
C1=CC(=CC=C1C(=O)NCN(CCCl)CCCl)F
InChI
InChI=1S/C12H15Cl2FN2O/c13-5-7-17(8-6-14)9-16-12(18)10-1-3-11(15)4-2-10/h1-4H,5-9H2,(H,16,18)
InChIKey
UHUXDBVLHUIQPV-UHFFFAOYSA-N
Compound name
N-[bis(2-chloroethyl)aminomethyl]-4-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.05453 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.06181 163.3
[M+Na]+ 315.04375 170.0
[M-H]- 291.04725 165.7
[M+NH4]+ 310.08835 180.1
[M+K]+ 331.01769 165.0
[M+H-H2O]+ 275.05179 156.9
[M+HCOO]- 337.05273 178.2
[M+CH3COO]- 351.06838 206.8
[M+Na-2H]- 313.02920 165.8
[M]+ 292.05398 166.6
[M]- 292.05508 166.6
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.