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

16
Patents

199.04001 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.04729 141.9
[M+Na]+ 222.02923 150.4
[M-H]- 198.03273 149.5
[M+NH4]+ 217.07383 160.6
[M+K]+ 238.00317 148.7
[M+H-H2O]+ 182.03727 136.7
[M+HCOO]- 244.03821 160.0
[M+CH3COO]- 258.05386 155.7
[M+Na-2H]- 220.01468 147.1
[M]+ 199.03946 142.3
[M]- 199.04056 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