CID 129917989

4-chloro-7-fluoroquinazolin-6-ol

Structural Information

Molecular Formula
C8H4ClFN2O
SMILES
C1=C2C(=CC(=C1O)F)N=CN=C2Cl
InChI
InChI=1S/C8H4ClFN2O/c9-8-4-1-7(13)5(10)2-6(4)11-3-12-8/h1-3,13H
InChIKey
IRAJYMJJKHATOS-UHFFFAOYSA-N
Compound name
4-chloro-7-fluoroquinazolin-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.99962 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.00690 134.0
[M+Na]+ 220.98884 146.5
[M-H]- 196.99234 133.9
[M+NH4]+ 216.03344 152.4
[M+K]+ 236.96278 141.1
[M+H-H2O]+ 180.99688 127.0
[M+HCOO]- 242.99782 149.1
[M+CH3COO]- 257.01347 147.4
[M+Na-2H]- 218.97429 142.4
[M]+ 197.99907 135.0
[M]- 198.00017 135.0
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.