CID 61678727

Methyl n-(4-amino-2-fluorophenyl)carbamate

Structural Information

Molecular Formula
C8H9FN2O2
SMILES
COC(=O)NC1=C(C=C(C=C1)N)F
InChI
InChI=1S/C8H9FN2O2/c1-13-8(12)11-7-3-2-5(10)4-6(7)9/h2-4H,10H2,1H3,(H,11,12)
InChIKey
ACUBIEWWBZKXFJ-UHFFFAOYSA-N
Compound name
methyl N-(4-amino-2-fluorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

184.0648 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.072076 135.8
[M+Na]+ 207.054018 143.9
[M-H]- 183.057524 138.3
[M+NH4]+ 202.098623 155.1
[M+K]+ 223.027958 142.3
[M+H-H2O]+ 167.062060 128.8
[M+HCOO]- 229.063001 160.7
[M+CH3COO]- 243.078651 185.2
[M+Na-2H]- 205.039466 140.7
[M]+ 184.06425142 133.8
[M]- 184.06534858 133.8
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