CID 83410212

3-bromo-2-fluoro-4-methylaniline hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

202.9746 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.981876 133.3
[M+Na]+ 225.963818 146.4
[M-H]- 201.967324 138.7
[M+NH4]+ 221.008423 156.0
[M+K]+ 241.937758 134.7
[M+H-H2O]+ 185.971860 132.7
[M+HCOO]- 247.972801 155.1
[M+CH3COO]- 261.988451 185.9
[M+Na-2H]- 223.949266 139.8
[M]+ 202.97405142 149.2
[M]- 202.97514858 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