CID 167734508

2,2-difluoro-1-hydroxycyclopropane-1-carbonitrile

Structural Information

Molecular Formula
C4H3F2NO
SMILES
C1C(C1(F)F)(C#N)O
InChI
InChI=1S/C4H3F2NO/c5-4(6)1-3(4,8)2-7/h8H,1H2
InChIKey
OLBIFLVJORKUAW-UHFFFAOYSA-N
Compound name
2,2-difluoro-1-hydroxycyclopropane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

119.01827 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.02555 110.7
[M+Na]+ 142.00749 128.3
[M-H]- 118.01099 115.0
[M+NH4]+ 137.05209 131.4
[M+K]+ 157.98143 123.6
[M+H-H2O]+ 102.01553 103.2
[M+HCOO]- 164.01647 130.4
[M+CH3COO]- 178.03212 183.2
[M+Na-2H]- 139.99294 121.2
[M]+ 119.01772 108.3
[M]- 119.01882 108.3
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.