CID 82504103

2913280-70-1

Structural Information

Molecular Formula
C8H9FN2O2
SMILES
CC1=C(C=C(C=C1[N+](=O)[O-])F)CN
InChI
InChI=1S/C8H9FN2O2/c1-5-6(4-10)2-7(9)3-8(5)11(12)13/h2-3H,4,10H2,1H3
InChIKey
RGTJHWPHEUAGRK-UHFFFAOYSA-N
Compound name
(5-fluoro-2-methyl-3-nitrophenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.0648 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.072076 133.9
[M+Na]+ 207.054018 142.6
[M-H]- 183.057524 136.6
[M+NH4]+ 202.098623 153.0
[M+K]+ 223.027958 136.3
[M+H-H2O]+ 167.062060 132.1
[M+HCOO]- 229.063001 159.3
[M+CH3COO]- 243.078651 179.7
[M+Na-2H]- 205.039466 140.1
[M]+ 184.06425142 130.7
[M]- 184.06534858 130.7
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.