CID 63094610

4-chloro-2-(propan-2-yloxy)benzonitrile

Structural Information

Molecular Formula
C10H10ClNO
SMILES
CC(C)OC1=C(C=CC(=C1)Cl)C#N
InChI
InChI=1S/C10H10ClNO/c1-7(2)13-10-5-9(11)4-3-8(10)6-12/h3-5,7H,1-2H3
InChIKey
FKCYFLVYSUFPMW-UHFFFAOYSA-N
Compound name
4-chloro-2-propan-2-yloxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.04509 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.05237 139.6
[M+Na]+ 218.03431 151.2
[M-H]- 194.03781 143.3
[M+NH4]+ 213.07891 158.4
[M+K]+ 234.00825 146.8
[M+H-H2O]+ 178.04235 128.7
[M+HCOO]- 240.04329 155.6
[M+CH3COO]- 254.05894 196.4
[M+Na-2H]- 216.01976 144.0
[M]+ 195.04454 138.1
[M]- 195.04564 138.1
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.