CID 130116198

2-(chloromethyl)-3-methyl-4-(trifluoromethyl)pyridine hydrochloride

Structural Information

Molecular Formula
C8H7ClF3N
SMILES
CC1=C(C=CN=C1CCl)C(F)(F)F
InChI
InChI=1S/C8H7ClF3N/c1-5-6(8(10,11)12)2-3-13-7(5)4-9/h2-3H,4H2,1H3
InChIKey
AJEIIHTUKPGYBR-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-3-methyl-4-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.02191 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.029186 136.1
[M+Na]+ 232.011128 147.3
[M-H]- 208.014634 135.0
[M+NH4]+ 227.055733 155.1
[M+K]+ 247.985068 142.7
[M+H-H2O]+ 192.019170 128.5
[M+HCOO]- 254.020111 150.3
[M+CH3COO]- 268.035761 185.1
[M+Na-2H]- 229.996576 142.0
[M]+ 209.02136142 134.8
[M]- 209.02245858 134.8
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.