CID 117112226

En300-1941495

Structural Information

Molecular Formula
C11H11ClF3N
SMILES
C1CC1(CN)C2=C(C=C(C=C2)Cl)C(F)(F)F
InChI
InChI=1S/C11H11ClF3N/c12-7-1-2-8(10(6-16)3-4-10)9(5-7)11(13,14)15/h1-2,5H,3-4,6,16H2
InChIKey
YUYLDNMNRIJJDN-UHFFFAOYSA-N
Compound name
[1-[4-chloro-2-(trifluoromethyl)phenyl]cyclopropyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.0532 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.06048 140.1
[M+Na]+ 272.04242 151.1
[M-H]- 248.04592 143.7
[M+NH4]+ 267.08702 155.2
[M+K]+ 288.01636 145.8
[M+H-H2O]+ 232.05046 133.1
[M+HCOO]- 294.05140 155.7
[M+CH3COO]- 308.06705 196.3
[M+Na-2H]- 270.02787 145.8
[M]+ 249.05265 139.5
[M]- 249.05375 139.5
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.