CID 83410213

2-bromo-3-fluoro-6-methylaniline

Structural Information

Molecular Formula
C7H7BrFN
SMILES
CC1=C(C(=C(C=C1)F)Br)N
InChI
InChI=1S/C7H7BrFN/c1-4-2-3-5(9)6(8)7(4)10/h2-3H,10H2,1H3
InChIKey
QWAYQUHVVUYSHD-UHFFFAOYSA-N
Compound name
2-bromo-3-fluoro-6-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
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 135.5
[M+Na]+ 225.96382 139.0
[M+NH4]+ 221.00842 140.7
[M+K]+ 241.93776 138.5
[M-H]- 201.96732 136.0
[M+Na-2H]- 223.94927 139.1
[M]+ 202.97405 134.9
[M]- 202.97515 134.9
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