CID 2737641

3-bromo-5-fluoro-2-methylaniline

Structural Information

Molecular Formula
C7H7BrFN
SMILES
CC1=C(C=C(C=C1Br)F)N
InChI
InChI=1S/C7H7BrFN/c1-4-6(8)2-5(9)3-7(4)10/h2-3H,10H2,1H3
InChIKey
DSYSVUWIAUMZDQ-UHFFFAOYSA-N
Compound name
3-bromo-5-fluoro-2-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

274
Patents

202.9746 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.98188 133.3
[M+Na]+ 225.96382 146.4
[M-H]- 201.96732 138.7
[M+NH4]+ 221.00842 156.0
[M+K]+ 241.93776 134.7
[M+H-H2O]+ 185.97186 132.7
[M+HCOO]- 247.97280 155.1
[M+CH3COO]- 261.98845 185.9
[M+Na-2H]- 223.94927 139.8
[M]+ 202.97405 149.2
[M]- 202.97515 149.2
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

patents stripe