CID 4674510

544440-09-7

Structural Information

Molecular Formula

C₈H₇F₂NO₂

SMILES

COC(=O)NC1=C(C=C(C=C1)F)F

InChI

InChI=1S/C8H7F2NO2/c1-13-8(12)11-7-3-2-5(9)4-6(7)10/h2-4H,1H3,(H,11,12)

InChIKey

DREYKINMQVKMMQ-UHFFFAOYSA-N

Compound name

methyl N-(2,4-difluorophenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 187.04448 Da
Monoisotopic Mass: 1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	188.05176	133.6
[M+Na]+	210.03370	142.7
[M-H]-	186.03720	135.3
[M+NH4]+	205.07830	153.4
[M+K]+	226.00764	141.0
[M+H-H2O]+	170.04174	126.1
[M+HCOO]-	232.04268	157.1
[M+CH3COO]-	246.05833	183.5
[M+Na-2H]-	208.01915	138.8
[M]+	187.04393	132.2
[M]-	187.04503	132.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe