CID 15528717

1-(trifluoromethyl)cyclopropane-1-carbonitrile

Structural Information

Molecular Formula
C5H4F3N
SMILES
C1CC1(C#N)C(F)(F)F
InChI
InChI=1S/C5H4F3N/c6-5(7,8)4(3-9)1-2-4/h1-2H2
InChIKey
VZQMRRQNVCBXHM-UHFFFAOYSA-N
Compound name
1-(trifluoromethyl)cyclopropane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

135.02959 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.03687 114.4
[M+Na]+ 158.01881 130.5
[M-H]- 134.02231 117.9
[M+NH4]+ 153.06341 133.1
[M+K]+ 173.99275 126.1
[M+H-H2O]+ 118.02685 104.6
[M+HCOO]- 180.02779 132.9
[M+CH3COO]- 194.04344 187.8
[M+Na-2H]- 156.00426 124.3
[M]+ 135.02904 110.0
[M]- 135.03014 110.0
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