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

9
Patents

184.0648 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.07208 135.8
[M+Na]+ 207.05402 143.9
[M-H]- 183.05752 138.3
[M+NH4]+ 202.09862 155.1
[M+K]+ 223.02796 142.3
[M+H-H2O]+ 167.06206 128.8
[M+HCOO]- 229.06300 160.7
[M+CH3COO]- 243.07865 185.2
[M+Na-2H]- 205.03947 140.7
[M]+ 184.06425 133.8
[M]- 184.06535 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