CID 21088278

4-chloro-6,7-difluoroquinazoline

Structural Information

Molecular Formula
C8H3ClF2N2
SMILES
C1=C2C(=CC(=C1F)F)N=CN=C2Cl
InChI
InChI=1S/C8H3ClF2N2/c9-8-4-1-5(10)6(11)2-7(4)12-3-13-8/h1-3H
InChIKey
RFMNNDWGWANMMJ-UHFFFAOYSA-N
Compound name
4-chloro-6,7-difluoroquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

146
Patents

199.99529 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.002566 132.8
[M+Na]+ 222.984508 145.9
[M-H]- 198.988014 132.7
[M+NH4]+ 218.029113 151.9
[M+K]+ 238.958448 140.3
[M+H-H2O]+ 182.992550 124.6
[M+HCOO]- 244.993491 148.2
[M+CH3COO]- 259.009141 146.4
[M+Na-2H]- 220.969956 141.1
[M]+ 199.99474142 133.1
[M]- 199.99583858 133.1
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

patents stripe