CID 14496299

4-chloro-3-(1,3-dioxolan-2-yl)aniline

Structural Information

Molecular Formula
C9H10ClNO2
SMILES
C1COC(O1)C2=C(C=CC(=C2)N)Cl
InChI
InChI=1S/C9H10ClNO2/c10-8-2-1-6(11)5-7(8)9-12-3-4-13-9/h1-2,5,9H,3-4,11H2
InChIKey
VEUGZCWVUPYQOB-UHFFFAOYSA-N
Compound name
4-chloro-3-(1,3-dioxolan-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

199.04001 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.047286 141.9
[M+Na]+ 222.029228 150.4
[M-H]- 198.032734 149.5
[M+NH4]+ 217.073833 160.6
[M+K]+ 238.003168 148.7
[M+H-H2O]+ 182.037270 136.7
[M+HCOO]- 244.038211 160.0
[M+CH3COO]- 258.053861 155.7
[M+Na-2H]- 220.014676 147.1
[M]+ 199.03946142 142.3
[M]- 199.04055858 142.3
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