CID 3829588

763133-29-5

Structural Information

Molecular Formula
C14H13BrClNO
SMILES
CC1=C(C=CC(=C1)NCC2=C(C=CC(=C2)Cl)O)Br
InChI
InChI=1S/C14H13BrClNO/c1-9-6-12(3-4-13(9)15)17-8-10-7-11(16)2-5-14(10)18/h2-7,17-18H,8H2,1H3
InChIKey
FCYZWVQLGLLNAW-UHFFFAOYSA-N
Compound name
2-[(4-bromo-3-methylanilino)methyl]-4-chlorophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.9869 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.99418 163.6
[M+Na]+ 347.97612 176.1
[M-H]- 323.97962 171.8
[M+NH4]+ 343.02072 182.0
[M+K]+ 363.95006 161.5
[M+H-H2O]+ 307.98416 163.2
[M+HCOO]- 369.98510 180.6
[M+CH3COO]- 384.00075 203.7
[M+Na-2H]- 345.96157 169.0
[M]+ 324.98635 183.6
[M]- 324.98745 183.6
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.