CID 167724138

2-chloro-3,3-difluorobutanenitrile

Structural Information

Molecular Formula
C4H4ClF2N
SMILES
CC(C(C#N)Cl)(F)F
InChI
InChI=1S/C4H4ClF2N/c1-4(6,7)3(5)2-8/h3H,1H3
InChIKey
BOMNUBMPPWSHHU-UHFFFAOYSA-N
Compound name
2-chloro-3,3-difluorobutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

139.00003 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.00731 119.6
[M+Na]+ 161.98925 130.2
[M-H]- 137.99275 118.5
[M+NH4]+ 157.03385 140.0
[M+K]+ 177.96319 128.3
[M+H-H2O]+ 121.99729 108.8
[M+HCOO]- 183.99823 132.5
[M+CH3COO]- 198.01388 186.1
[M+Na-2H]- 159.97470 125.6
[M]+ 138.99948 113.6
[M]- 139.00058 113.6
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.