CID 17937434

2-bromo-4-fluoro-5-nitroaniline

Structural Information

Molecular Formula
C6H4BrFN2O2
SMILES
C1=C(C(=CC(=C1[N+](=O)[O-])F)Br)N
InChI
InChI=1S/C6H4BrFN2O2/c7-3-1-4(8)6(10(11)12)2-5(3)9/h1-2H,9H2
InChIKey
FBVOIJABNHHFIF-UHFFFAOYSA-N
Compound name
2-bromo-4-fluoro-5-nitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

233.94402 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.95130 138.5
[M+Na]+ 256.93324 150.6
[M-H]- 232.93674 143.7
[M+NH4]+ 251.97784 158.9
[M+K]+ 272.90718 135.4
[M+H-H2O]+ 216.94128 141.2
[M+HCOO]- 278.94222 161.6
[M+CH3COO]- 292.95787 184.1
[M+Na-2H]- 254.91869 146.1
[M]+ 233.94347 153.6
[M]- 233.94457 153.6
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

patents stripe