CID 85983341

731785-44-7

Structural Information

Molecular Formula
C10H13ClNO
SMILES
C[N+](C)(C)C1=CC=C(C=C1)C(=O)Cl
InChI
InChI=1S/C10H13ClNO/c1-12(2,3)9-6-4-8(5-7-9)10(11)13/h4-7H,1-3H3/q+1
InChIKey
KUSOGFDROWAYLG-UHFFFAOYSA-N
Compound name
(4-carbonochloridoylphenyl)-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.06857 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.07585 138.2
[M+Na]+ 221.05779 146.7
[M-H]- 197.06129 143.7
[M+NH4]+ 216.10239 159.0
[M+K]+ 237.03173 138.6
[M+H-H2O]+ 181.06583 136.5
[M+HCOO]- 243.06677 157.8
[M+CH3COO]- 257.08242 182.3
[M+Na-2H]- 219.04324 147.3
[M]+ 198.06802 139.9
[M]- 198.06912 139.9
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.